ChemSpider 2D Image | 1-[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)methanamine | C19H22FN5

1-[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)methanamine

  • Molecular FormulaC19H22FN5
  • Average mass339.410 Da
  • Monoisotopic mass339.185913 Da
  • ChemSpider ID29615880

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)methanamine [ACD/IUPAC Name]
1-[3-(4-Fluorophényl)-1H-pyrazol-4-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylméthyl)méthanamine [French] [ACD/IUPAC Name]
1-[3-(4-Fluorphenyl)-1H-pyrazol-4-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)methanamin [German] [ACD/IUPAC Name]
Cyclohepta[c]pyrazole-3-methanamine, N-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4,5,6,7,8-hexahydro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 9.62
ACD/KOC (pH 5.5): 75.32
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 153.47
ACD/KOC (pH 7.4): 1201.83
Polar Surface Area: 69 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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